CID 165952075

1-ethynyl-4,4-dimethylcyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H17N
SMILES
CC1(CCC(CC1)(C#C)N)C
InChI
InChI=1S/C10H17N/c1-4-10(11)7-5-9(2,3)6-8-10/h1H,5-8,11H2,2-3H3
InChIKey
GQKUOPJPPFFYSX-UHFFFAOYSA-N
Compound name
1-ethynyl-4,4-dimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.1361 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.14338 135.3
[M+Na]+ 174.12532 144.8
[M-H]- 150.12882 137.6
[M+NH4]+ 169.16992 157.6
[M+K]+ 190.09926 140.0
[M+H-H2O]+ 134.13336 125.9
[M+HCOO]- 196.13430 150.5
[M+CH3COO]- 210.14995 186.8
[M+Na-2H]- 172.11077 140.2
[M]+ 151.13555 125.5
[M]- 151.13665 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.